- InChI
- InChI=1S/C12H15Cl5OSi/c1-12(2,3)19(4,5)18-11-9(16)7(14)6(13)8(15)10(11)17/h1-5H3
- InChI Key
- KDPIVORPBWXDGN-UHFFFAOYSA-N
- Formula
- C12H15Cl5OSi
- SMILES
-
CC(C)(C)[Si](C)(C)Oc1c(Cl)c(Cl
)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 380.60
- Other Names
-
- Pentachlorophenol, TBDMS
- Pentachlorophenol, tbdms derivative
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5790 | Relay (... Calculated Property | |
| ΔfG° | -90.43 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -364.45 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 76.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -7.01 | Relay (... Calculated Property | |
| logPoct/wat | 7.338 | Crippen Calculated Property | |
| Pc | 1737.99 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2192.70; 2192.70] |
|
|
| Inp | 2192.70 | NIST | |
| Inp | 2192.70 | NIST | |
| Tboil | 590.15 | K | Relay (... Calculated Property |
| Tc | 865.90 | K | Relay (... Calculated Property |
| Tfus | 428.80 | K | Relay (... Calculated Property |
| Vc | 0.896 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pentachlorophenol, tert-butyldimethylsilyl ether.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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